Information card for entry 4079776

Structure parameters

• Formula: C28.5 H24 Co F4 P
• Calculated formula: C28.5 H24 Co F4 P
• SMILES: [Co]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C(F)C(F)(F)F)[cH]5[cH]1[cH]2[cH]3[cH]45.c1(ccccc1)C
• Title of publication: Cobalt Fluorocarbene Complexes
• Authors of publication: Daniel J. Harrison; Serge I. Gorelsky; Graham M. Lee; Ilia Korobkov; R. Tom Baker
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 12 - 15
• a: 9.345 ± 0.002 Å
• b: 10.057 ± 0.002 Å
• c: 14.781 ± 0.004 Å
• α: 104.035 ± 0.008°
• β: 91.034 ± 0.008°
• γ: 114.257 ± 0.008°
• Cell volume: 1217.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No